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Substance Name: Tetrasodium (8-hydroxy-7-((2-hydroxy-7-sulpho-6-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)-1-naphthyl)azo)naphthalene-1,3,6-trisulphonato(6-))cuprate(4-)
RN: 71735-65-4
InChIKey: QBWUQDAFAKCIEC-TTWQUUMYSA-H

Molecular Formula

  • C30-H12-Cl3-Cu-N7-O14-S4.4Na

Molecular Weight

  • 1084.5888
 
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Names and Synonyms

Synonym

  • EINECS 275-964-0

Systematic Name

  • Tetrasodium (8-hydroxy-7-((2-hydroxy-7-sulpho-6-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)-1-naphthyl)azo)naphthalene-1,3,6-trisulphonato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 71735-65-4

System Generated Number

  • 0071735654

Molecular Formulas

Molecular Formula

  • C30-H12-Cl3-Cu-N7-O14-S4.4Na

Molecular Formula Fragments

  • C30-H12-Cl3-Cu-N7-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H18Cl3N7O14S4.Cu.4Na/c31-24-28(32)35-30(33)36-29(24)34-14-2-4-15(5-3-14)37-38-18-8-12-1-6-19(41)25(17(12)11-20(18)56(46,47)48)39-40-26-22(58(52,53)54)9-13-7-16(55(43,44)45)10-21(57(49,50)51)23(13)27(26)42;;;;;/h1-11,41-42H,(H,34,35,36)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;/q;+2;4*+1/p-6/b38-37+,40-39+;;;;;

InChIKey

QBWUQDAFAKCIEC-TTWQUUMYSA-H

Smiles

c1cc(ccc1Nc2c(c(nc(n2)Cl)Cl)Cl)/N=N/c3cc4ccc5c\6c4cc3S(=O)(=O)O[Cu-4]789(O5)Oc1c2c(cc(cc2S(=O)(=O)O7)S(=O)(=O)O8)cc(c1/N=N6)S(=O)(=O)O9.[Na+].[Na+].[Na+].[Na+]